(4-ethylphenyl) 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (4-ethylphenyl) 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (4-ethylphenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (4-ethylphenyl) ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO4S/c1-2-16-8-10-18(11-9-16)25-20(22)17-12-14-21(15-13-17)26(23,24)19-6-4-3-5-7-19/h3-11,17H,2,12-15H2,1H3